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	hartrees
Energy at 0K	-14734.907895
Energy at 298.15K
HF Energy	-14734.907895
Nuclear repulsion energy	1215.971826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	580	577	181.40	8.46	0.24	0.38
2	A₁	295	293	0.54	22.60	0.03	0.06
3	A₁	182	181	0.00	13.20	0.31	0.48
4	A₁	104	103	0.16	7.87	0.66	0.80
5	A₂	139	138	0.00	6.06	0.75	0.86
6	B₁	578	575	173.54	4.08	0.75	0.86
7	B₁	174	173	0.04	9.92	0.75	0.86
8	B₂	562	559	163.11	5.14	0.75	0.86
9	B₂	209	208	0.70	10.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.619
Cl2	0.000	1.536	1.778
Cl3	0.000	-1.536	1.778
I4	1.869	0.000	-0.605
I5	-1.869	0.000	-0.605

	C1	Cl2	Cl3	I4	I5
C1		1.9238	1.9238	2.2340	2.2340
Cl2	1.9238		3.0715	3.3954	3.3954
Cl3	1.9238	3.0715		3.3954	3.3954
I4	2.2340	3.3954	3.3954		3.7374
I5	2.2340	3.3954	3.3954	3.7374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	105.933	Cl2	C1	I4	109.271
Cl2	C1	I5	109.271	Cl3	C1	I4	109.271
Cl3	C1	I5	109.271	I4	C1	I5	113.543

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)

using model chemistry: BLYP/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.765
2	Cl	0.082
3	Cl	0.082
4	I	0.300
5	I	0.300

	x	y	z	Total
	0.000	0.000	-1.765	1.765
CHELPG
AIM
ESP

<r²>	653.222
(<r²>)^1/2	25.558

All results from a given calculation for CCl2I2 (dichlorodiiodomethane)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CCl₂I₂ (dichlorodiiodomethane)